Hydride transfer is a critical elementary reaction step that spans biological catalysis, organic synthesis and energy conversion. Conventionally, hydride reactions are performed using (bio)molecular reagents under homogeneous conditions. Here we report conceptually distinct heterogeneous via the net electrocatalytic hydrogen reduction (HRR), which reduces H2 to hydrides. The proceeds by dissoci...

The successful and fast start-up of proton exchange membrane fuel cells (PEMFCs) at subfreezing temperatures (cold start) is very important for the use PEMFCs as energy sources automotive applications. effective thermal management major importance. When hydrogen stored in hydride-forming intermetallics, significant amounts heat are released due to exothermic nature reaction. This excess can pot...

Abstract Accurate identifying and in‐depth understanding of the defect sites in a working nanomaterial could hinge on establishing specific defect‐activity relationships. Yet, atomically precise coinage‐metal nanoclusters (NCs) possessing surface vacancy defects are scarce primarily owing to challenges synthesis isolation such defective NCs. Herein we report mixed‐ligand strategy synthesizing a...

We describe the transition states determined using plane wave Density Functional Theory (DFT) for the b-hydride elimination reaction RCH2O(ad)! RCHO(ad) + H(ad) on Cu(111) for R = H, CH3, CH2F, CHF2, and CF3. Our results allow us to assess qualitative descriptions of these transition states based on previous experiments. Our calculations confirm that the character of the transition state is una...